| CAS Number | 619328-59-5 |
| Catalog Number | AG019OJD(AGN-PC-0T2CBL) |
| Chemical Name | 6-Methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridazine-3-carboxylic acid |
| IUPAC Name | 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid |
| InChI | InChI=1S/C13H9F3N2O3/c1-7-6-10(19)11(12(20)21)17-18(7)9-5-3-2-4-8(9)13(14,15)16/h2-6H,1H3,(H,20,21) |
| InChI Key | XNYGKODHZYWTOU-UHFFFAOYSA-N |
| MDL Number | MFCD07339519 |
| Molecular Formula | C13H9F3N2O3 |
| Molecular Weight | 298.2174 |
| SMILES | CC1N(C2=C(C(F)(F)F)C=CC=C2)N=C(C(O)=O)C(=O)C=1 |
| Synonyms | 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridazine-3-carboxylic acid,
619328-59-5,
AC1NLR9H,
AC1Q2HAS,
MLS001176727,
CHEMBL1587081,
CTK7J1044,
HMS2898K20,
ZINC4207386,
6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylic Acid,
AKOS009020521,
MCULE-1040172595,
NE29279,
SMR000595697,
EN300-14158,
AB00739362-01,
SR-01000074279,
SR-01000074279-1,
Z99599238,
CID4962864,
|
| Complexity | 525 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.221g/mol |
| Monoisotopic Mass | 298.057g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number